methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylate

Systemtic Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylate Openeye Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylate CAS Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-2-pyrazinyl]-3-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylate Traditional Name: 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylic acid methyl ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C1)C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1CN(C1)C2=NC=CN=C2OC3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N5O3S/c1-29-21(28)14-12-27(13-14)19-20(24-11-10-23-19)30-16-8-6-15(7-9-16)25-22-26-17-4-2-3-5-18(17)31-22/h2-11,14H,12-13H2,1H3,(H,25,26)